Chemical Properties of D-alanine, n-(2,5-ditrifluoromethylbenzoyl)-, propyl ester

D-alanine, n-(2,5-ditrifluoromethylbenzoyl)-, propyl ester

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InChI
InChI=1S/C15H15F6NO3/c1-3-6-25-13(24)8(2)22-12(23)10-7-9(14(16,17)18)4-5-11(10)15(19,20)21/h4-5,7-8H,3,6H2,1-2H3,(H,22,23)
InChI Key
MMUIISYGDAKMDQ-UHFFFAOYSA-N
Formula
C15H15F6NO3
SMILES
CCCOC(=O)C(C)NC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F
Molecular Weight1
371.27
Sources

Physical Properties

Property Value Unit Source
Δf -1270.50 kJ/mol Joback Calculated Property
Δfgas -1642.69 kJ/mol Joback Calculated Property
Δfus 37.48 kJ/mol Joback Calculated Property
Δvap 67.04 kJ/mol Joback Calculated Property
logPoct/wat 3.80 Crippen Calculated Property
Pc 1653.80 kPa Joback Calculated Property
Tboil 748.29 K Joback Calculated Property
Tc 935.56 K Joback Calculated Property
Tfus 478.40 K Joback Calculated Property
Vc 0.91 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 671.98 J/mol×K 748.29 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-F 6
=CH- (ring) 3
=C< (ring) 3
-CH2- 2
>C< 2
>NH 1
>C=O (nonring) 2
-CH3 2

Similar Compounds

D-alanine, n-(2,5-ditrifluoromethylbenzoyl)-, butyl ester. D-alanine, n-(2,5-ditrifluoromethylbenzoyl)-, pentyl ester. D-alanine, n-(2,5-ditrifluoromethylbenzoyl)-, heptyl ester. D-alanine, n-(2,5-ditrifluoromethylbenzoyl)-, hexyl ester. D-alanine, n-(2,5-ditrifluoromethylbenzoyl)-, hexadecyl ester. D-alanine, n-(2,5-ditrifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, heptadecyl ester. L-alanine, n-(2-trifluoromethylbenzoyl)-, methyl ester. D-alanine, n-(4-fluoro-2-trifluoromethylbenzoyl)-, propyl ester. D-alanine, n-(5-fluoro-2-trifluoromethylbenzoyl)-, butyl ester. D-alanine, n-(4-fluoro-2-trifluoromethylbenzoyl)-, ethyl ester. D-alanine, n-(4-fluoro-2-trifluoromethylbenzoyl)-, pentyl ester. D-alanine, n-(5-fluoro-2-trifluoromethylbenzoyl)-, pentyl ester. D-alanine, n-(4-fluoro-2-trifluoromethylbenzoyl)-, heptyl ester. D-alanine, n-(4-fluoro-2-trifluoromethylbenzoyl)-, pentadecyl ester.

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